SCHEMBL9490700

SCHEMBL9490700

CCCCC(CC)Cc1ccc(C=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
CYP3A4 P08684 3/20 0.40
TSHR P16473 3/20 0.40
TDP1 Q9NUW8 2/20 0.39
BDKRB2 P30411 1/20 0.39
CA2 P00918 2/20 0.38
ALDH3A1 P30838 1/20 0.38
ALDH1A3 P47895 1/20 0.38
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
GLA P06280 1/20 0.37
HTT P42858 1/20 0.37
TYR P14679 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
CTSL P07711 1/20 0.36

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
Formic Acid SCHEMBL28247722 0.86 ALDH1A1 (0.44) ALDH1A1LMNASMN1; SMN2CYP3A4TSHR
SCHEMBL153634 0.86 BDKRB2 (0.48) ALDH1A1LMNACYP3A4TSHRTDP1
SCHEMBL19717803 0.85 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2CYP3A4TSHR
SCHEMBL23139251 0.84 MME (0.39) ALDH1A1LMNACYP3A4BDKRB2CA2
SCHEMBL23139196 0.84 MME (0.39) ALDH1A1LMNACYP3A4BDKRB2CA2
SCHEMBL9830892 0.83 BDKRB2 (0.39) ALDH1A1LMNACYP3A4TSHRTDP1
SCHEMBL489052 0.83 BDKRB2 (0.39) ALDH1A1LMNACYP3A4TSHRTDP1
SCHEMBL3419642 0.81 BDKRB2 (0.42) ALDH1A1LMNACYP3A4TSHRTDP1
SCHEMBL3878979 0.79 LMNA (0.52) ALDH1A1LMNASMN1; SMN2HPGDCYP3A4
SCHEMBL1033135 0.79 BDKRB2 (0.43) ALDH1A1HPGDCYP3A4TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0315899-B1 THIEN-3-YL AZO DYES BASF Aktiengesellschaft (DE) 1993-04-07 EP disclosed
EP-0269953-B1 THIOPHENE AZO DYES BASF Aktiengesellschaft (DE) 1992-03-25 EP disclosed
US-4994564-A Dyeing synthetic fibers in shades of red, yellow BASF AKTIENGESELLSCHAFT (DE) 1991-02-19 US disclosed
EP-0315899-A2 Thien-3-yl azo dyes BASF Aktiengesellschaft (DE) 1989-05-17 EP disclosed
EP-0269953-A2 Thiophene azo dyes BASF Aktiengesellschaft (DE) 1988-06-08 EP disclosed