SCHEMBL7778968

SCHEMBL7778968

Cc1cccc2c1OC(=O)C2C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
HPGD P15428 1/20 0.37
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
USP2 O75604 1/20 0.34
THRB P10828 1/20 0.34
ACHE P22303 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL7783990 0.81 KDM4E (0.38) HPGDTP53MEN1KMT2AALDH1A1
SCHEMBL11119594 0.81 HPGD (0.34) HPGDTP53HTTMAPTMEN1
SCHEMBL11121407 0.81 HPGD (0.45) HPGDMAPTMEN1KMT2ATSHR
SCHEMBL7785533 0.77 CA2 (0.35) CA2TSHRALDH1A1
SCHEMBL21889685 0.77 HTR2C (0.41) BRD4CREBBPHPGDTP53HTT
SCHEMBL30986214 0.76 CYP1A2 (0.43) TP53HTTMAPTMEN1KMT2A
SCHEMBL7778979 0.75 HTR2B (0.38) BRD4CREBBPALDH1A1
SCHEMBL2614948 0.75 GAA (0.53) HPGDTP53HTTMAPTMEN1
SCHEMBL21889683 0.74 GAA (0.48) HPGDMAPTMEN1KMT2ATHRB
SCHEMBL7785811 0.73 GAA (0.33) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0707575-B1 USE OF DIHYDROBENZOFURANONES AS SCENTING INGREDIENTS FIRMENICH & CIE (CH) 2001-10-24 EP disclosed