SCHEMBL8627012

SCHEMBL8627012

OC=CCc1ccc2cccccc1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.44
KMT2A Q03164 1/20 0.42
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
BCL2L1 Q07817 1/20 0.39
CYP2A6 P11509 1/20 0.39
FOLH1 Q04609 1/20 0.37
BACE1 P56817 1/20 0.35
PTGER1 P34995 2/20 0.35
PTGER4 P35408 2/20 0.35
PTGER3 P43115 2/20 0.35
PTGER2 P43116 2/20 0.35
MAPK1 P28482 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL8717020 0.94 DPP4 (0.50) DPP4KMT2APDCD1CD274ALDH1A1
SCHEMBL25795187 0.81 DPP4 (0.46) DPP4KMT2APDCD1CD274ALDH1A1
SCHEMBL1082101 0.78 GPBAR1 (0.42) CYP2A6CYP11B1CYP11B2
SCHEMBL27886719 0.76 GABRA1 (0.47) DPP4KMT2APDCD1CD274ALDH1A1
SCHEMBL2046926 0.74 PDCD1 (0.57) DPP4KMT2APDCD1CD274ALDH1A1
SCHEMBL170431 0.74 DPP4 (0.55) DPP4KMT2APDCD1CD274ALDH1A1
SCHEMBL28348557 0.74 DPP4 (0.55) DPP4KMT2APDCD1CD274ALDH1A1
SCHEMBL10949035 0.74 KMT2A (0.51) DPP4KMT2APDCD1CD274ALDH1A1
SCHEMBL6451491 0.74 NOTUM (0.44) CYP2A6
SCHEMBL7594295 0.74 CA1 (0.38) PTGER1PTGER4PTGER3PTGER2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5728867-A LASER RECORDING BASF AKTIENGESELLSCHAFT (DE) 1998-03-17 US disclosed
US-5169975-A BINARY AZULENESQUARIC ACID DYES, THEIR INTERMEDIATES AND OPTICAL RECORDING MEDIUM BASF AKTIENGESELLSCHAFT (DE) 1992-12-08 US disclosed
US-5087727-A A ZULENES CONTAINING A URETHANE GROUP BASF AKTIENGESELLSCHAFT (DE) 1992-02-11 US disclosed
US-4990649-A Optical recording media BASF AKTIENGESELLSCHAFT (DE) 1991-02-05 US disclosed