SCHEMBL18148233

SCHEMBL18148233

CCC(CCC(=O)O)NC(=O)CCSSc1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.42
HDAC1 Q13547 10/20 0.42
HDAC2 Q92769 10/20 0.42
HPGD P15428 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MME P08473 1/20 0.41
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL14546468 0.87 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2HDAC1HDAC2HPGD
SCHEMBL564869 0.86 HPGD (0.44) ALDH1A1SMN1; SMN2HDAC1HDAC2HPGD
SCHEMBL21954020 0.82 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HDAC1HDAC2HPGD
SCHEMBL898975 0.80 HDAC2 (0.47) ALDH1A1SMN1; SMN2HDAC1HDAC2
SCHEMBL21727772 0.79 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HDAC1HDAC2HPGD
SCHEMBL29811281 0.78 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2HDAC1HDAC2HPGD
SCHEMBL98030 0.78 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2HDAC1HDAC2HPGD
SCHEMBL18510178 0.78 HPGD (0.51) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL10031015 0.78 HPGD (0.51) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL20034082 0.78 HPGD (0.46) ALDH1A1SMN1; SMN2HDAC1HDAC2HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938350-B2 Receptor tyrosine kinase-like orphan receptor 1 (ROR1) single chain Fv antibody fragment conjugates and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-04-10 US disclosed
US-20160304619-A1 RECEPTOR TYROSINE KINASE-LIKE ORPHAN RECEPTOR 1 (ROR1) SINGLE CHAIN FV ANTIBODY FRAGMENT CONJUGATES AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-10-20 US disclosed