SCHEMBL10830752

SCHEMBL10830752

CCCCN(C(=O)O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA9 Q16790 2/20 0.40
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP8 P22894 1/20 0.38
AKR1B1 P15121 1/20 0.36
CA2 P00918 1/20 0.35
MAPK1 P28482 1/20 0.35
GPR84 Q9NQS5 7/20 0.34
PPARG P37231 6/20 0.34
PPARD Q03181 6/20 0.34
PPARA Q07869 6/20 0.34
HDAC11 Q96DB2 5/20 0.34
TSHR P16473 4/20 0.34
ALDH1A1 P00352 2/20 0.34
TLR2 O60603 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
FABP4 P15090 2/20 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
SCHEMBL29029803 0.93 AKR1B1 (0.39) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL332512 0.86 CA12 (0.36) CA12CA1CA9CA2MAPK1
SCHEMBL5791276 0.83 TSHR (0.40) TSHRALDH1A1ALOX15
SCHEMBL790160 0.82 MEN1 (0.33) GPR84MEN1KMT2AFFAR1FFAR4
SCHEMBL15569600 0.82 MEN1 (0.33) MEN1KMT2A
SCHEMBL497601 0.82 CA12 (0.40) CA12CA1CA9MMP1MMP2
SCHEMBL19025042 0.82 FOLH1 (0.36) MEN1KMT2A
SCHEMBL5791555 0.82 EPHX1 (0.39) TSHRALDH1A1ALOX15
SCHEMBL5312463 0.82 EPHX1 (0.39) TSHRALDH1A1ALOX15
SCHEMBL28997023 0.81 KDM5A (0.44) GPR84PPARGPPARDPPARAHDAC11

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
EP-0083764-B1 PROCESS FOR THE PREPARATION OF CARBAMATES BASF Aktiengesellschaft (DE) 1986-03-05 EP disclosed
EP-0083764-A2 Process for the preparation of carbamates BASF Aktiengesellschaft (DE) 1983-07-20 EP disclosed