SCHEMBL8623733

SCHEMBL8623733

CCNC(=O)CN(C(=O)OCc1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
PRSS1 P07477 1/20 0.42
TPSAB1 Q15661 1/20 0.42
PDK2 Q15119 1/20 0.42
CAPN1 P07384 1/20 0.42
CAPN2 P17655 1/20 0.42
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
GLA P06280 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
CCR6 P51684 1/20 0.40
PAX8 Q06710 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL8555208 0.86 ALDH1A1 (0.47) ALDH1A1MAPTHPGDGAARAB9A
SCHEMBL11517533 0.83 PRSS1 (0.60) ALDH1A1MAPTHPGDPRSS1TPSAB1
SCHEMBL16207467 0.82 ABCB1 (0.50) ALDH1A1MAPTHPGDKMT2ASMN1; SMN2
SCHEMBL84134 0.81 ALDH1A1 (0.49) ALDH1A1MAPTHPGDRAB9AKMT2A
SCHEMBL28459939 0.81 ALDH1A1 (0.58) ALDH1A1MAPTHPGDKMT2AGLA
SCHEMBL11790891 0.80 ALDH1A1 (0.48) ALDH1A1MAPTHPGDRAB9AKMT2A
SCHEMBL1782358 0.79 ALDH1A1 (0.51) ALDH1A1MAPTHPGDRAB9AKMT2A
SCHEMBL7350797 0.79 ALDH1A1 (0.49) ALDH1A1MAPTHPGDRAB9AKMT2A
SCHEMBL3084308 0.79 ALDH1A1 (0.50) ALDH1A1MAPTHPGDKMT2AGLA
SCHEMBL8620509 0.78 ALDH1A1 (0.45) ALDH1A1MAPTHPGDGAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0712838-B1 ACYLPHENYLGLYCINE DERIVATIVE AND PREVENTIVE AND REMEDY FOR DISEASES CAUSED BY INCREASED COLLAGENASE ACTIVITY CONTAINING SAID COMPOUND AS ACTIVE INGREDIENT KANEBO LTD (JP) 1998-11-04 EP disclosed
US-5795891-A RHEUMATOID ARTHRITIS, OSTEOPOROSIS, HYPERCALCEMIA KANEBO LTD. (JP) 1998-08-18 US disclosed
EP-0712838-A1 ACYLPHENYLGLYCINE DERIVATIVE AND PREVENTIVE AND REMEDY FOR DISEASES CAUSED BY INCREASED COLLAGENASE ACTIVITY CONTAINING SAID COMPOUND AS ACTIVE INGREDIENT KANEBO LTD. (JP) 1996-05-22 EP disclosed