SCHEMBL53323

SCHEMBL53323

O=C(CCl)NC1CCCc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 1.00
TSHR P16473 2/20 0.67
HPGD P15428 2/20 0.67
POLB P06746 2/20 0.65
DHODH Q02127 2/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
HTT P42858 4/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
TAS1R3 Q7RTX0 1/20 0.61
TAS1R1 Q7RTX1 1/20 0.61
TAS1R2 Q8TE23 1/20 0.61
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL606143 1.00 ALDH1A1 (1.00) ALDH1A1TSHRHPGDPOLBDHODH
SCHEMBL4866618 0.91 ALDH1A1 (0.83) ALDH1A1TSHRHPGDPOLBDHODH
SCHEMBL14698658 0.91 ALDH1A1 (0.83) ALDH1A1TSHRHPGDPOLBDHODH
SCHEMBL30985347 0.91 ALDH1A1 (0.83) ALDH1A1TSHRHPGDPOLBDHODH
SCHEMBL4858887 0.91 ALDH1A1 (0.83) ALDH1A1TSHRHPGDPOLBDHODH
SCHEMBL14335367 0.89 ALDH1A1 (0.80) ALDH1A1TSHRHPGDPOLBDHODH
SCHEMBL9171378 0.86 ALDH1A1 (0.76) ALDH1A1TSHRHPGDPOLBDHODH
SCHEMBL3729153 0.85 ALDH1A1 (0.74) ALDH1A1TSHRHPGDPOLBDHODH
SCHEMBL14414533 0.85 ALDH1A1 (0.74) ALDH1A1TSHRHPGDPOLBDHODH
SCHEMBL20990440 0.85 ALDH1A1 (0.74) ALDH1A1TSHRHPGDDHODHL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5071875-A Nervous system, psychological disorders; sleep cycle, skin dis coloration NORTHWESTERN UNIVERSITY (US) 1991-12-10 US claimed
EP-0420064-A2 Substituted 2-amidotetralins as melatonin agonists and antagonists NORTHWESTERN UNIVERSITY (US) 1991-04-03 EP claimed
EP-2120912-B1 METHODS OF CORRECTING IMBALANCE BETWEEN BONE RESORPTION AND BONE FORMATION AND KITS AND COMPOSITIONS THEREFOR CHU SAINTE JUSTINE (CA) 2013-04-03 EP disclosed
US-8222298-B2 Methods of correcting imbalance between bone resorption and bone formation and kits and compositions therefor CHU SAINTE-JUSTINE (CA) 2012-07-17 US disclosed
US-20120135930-A1 METHODS OF CORRECTING IMBALANCE BETWEEN BONE RESORPTION AND BONE FORMATION AND KITS AND COMPOSITIONS THEREFOR CHU SAINTE-JUSTINE 2012-05-31 US disclosed
US-8129432-B2 Method of correcting imbalance between bone resorption and bone formation and kits and compositions therefor CHU SAINTE-JUSTINE (CA) 2012-03-06 US disclosed
US-20100029567-A1 METHOD OF CORRECTING IMBALANCE BETWEEN BONE RESORPTION AND BONE FORMATION AND KITS AND COMPOSITIONS THEREFOR CHU SAINTE-JUSTINE (CA) 2010-02-04 US disclosed
EP-2120912-A1 METHODS OF CORRECTING IMBALANCE BETWEEN BONE RESORPTION AND BONE FORMATION AND KITS AND COMPOSITIONS THEREFOR Chu Sainte-justine (CA) 2009-11-25 EP disclosed
WO-2008098379-A1 METHODS OF CORRECTING IMBALANCE BETWEEN BONE RESORPTION AND BONE FORMATION AND KITS AND COMPOSITIONS THEREFOR CHU SAINTE-JUSTINE (CA) 2008-08-21 WO disclosed
US-5151446-A Neurological disorders or cardiovascular disorders NORTHWESTERN UNIVERSITY (US) 1992-09-29 US disclosed
US-5071875-A Nervous system, psychological disorders; sleep cycle, skin dis coloration NORTHWESTERN UNIVERSITY (US) 1991-12-10 US disclosed
EP-0420064-A2 Substituted 2-amidotetralins as melatonin agonists and antagonists NORTHWESTERN UNIVERSITY (US) 1991-04-03 EP disclosed